arXiv:2608. 10792v1 Announce Type: new Abstract: Autonomous chemistry increasingly depends on environments in which agents can repeatedly act, observe, and adapt.
arXiv:2602. 17902v2 Announce Type: replace Abstract: Large language models (LLMs) can plan scientific workflows and generate code, but these capabilities do not specify how scientific state is validated, transferred and recorded across heterogeneous computational and experimental operations.
arXiv:2608. 07637v1 Announce Type: new Abstract: Long-running molecular simulation campaigns require repeated continuation from saved states, provenance-aware progression, adaptive assessment, and occasional interpretation of workflow conditions that cannot be resolved safely by fixed rules.
arXiv:2608. 06961v1 Announce Type: new Abstract: Early-stage molecular design is an iterative process, not just a task of generating molecules.
arXiv:2604. 22748v2 Announce Type: replace Abstract: As AI systems move from generating text to accomplishing goals through sustained interaction, the ability to model environment dynamics becomes a central bottleneck.
arXiv:2608. 11224v1 Announce Type: new Abstract: Materials research advances through accumulated experience - scripts that work, protocols that are trusted, warnings attached to failed calculations or experiments, and judgement that links a new question to an old result.
arXiv:2607. 15854v1 Announce Type: cross Abstract: Coding agents can fix a failing example without preserving the domain rule that made it fail, so later generations can repeat the same plausible mistake.
arXiv:2607. 23045v1 Announce Type: new Abstract: AI is evaluated through knowledge, reasoning and plan generation, yet scientific agency requires reliable physical action and adaptation to evidence.
arXiv:2605. 27898v2 Announce Type: replace Abstract: As LLMs are increasingly deployed as agents, reliable assessment of their agentic capabilities has become essential.
arXiv:2607. 00436v1 Announce Type: new Abstract: Large language model agents are increasingly connected to scientific software, yet it remains unclear when tool access makes scientific computation more reliable rather than merely more complex.
Continually improving agents require dynamic interaction feedback beyond static supervision, yet direct real-environment interaction is costly, slow, unsafe, and hard to parallelize. World modeling offers a natural intermediate proxy that allows agents to query lower-cost, more controllable feedback before committing to real actions.
arXiv:2606. 03660v1 Announce Type: new Abstract: Large language models are increasingly used as chemistry assistants, yet most chemistry benchmarks still score only final answers.
arXiv:2510. 19771v4 Announce Type: replace Abstract: LLM-based agents are increasingly moving towards proactivity: rather than awaiting instruction, they exercise agency to anticipate user needs and solve them autonomously.